7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

C91H79N21 — CID 157426910

IUPAC7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESCc1[nH]nc2ccc(-c3nc4ccc5[nH]nc(N)c5c4c4c3CCCC4)cc12.Cc1[nH]nc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc12.Cc1[nH]nc2ccc(-c3nc4ccc5n[nH]c(C)c5c4c4c3CCCC4)cc12.c1cnc(-c2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2)nc1
InChIInChI=1S/C24H19N5.C23H21N5.C22H20N6.C22H19N5/c1-2-5-18-17(4-1)22-19-14-27-29-20(19)10-11-21(22)28-23(18)15-6-8-16(9-7-15)24-25-12-3-13-26-24;1-12-17-11-14(7-8-18(17)27-25-12)23-16-6-4-3-5-15(16)22-19(24-23)9-10-20-21(22)13(2)26-28-20;1-11-15-10-12(6-7-16(15)26-25-11)21-14-5-3-2-4-13(14)19-17(24-21)8-9-18-20(19)22(23)28-27-18;1-12-16-10-13(6-7-18(16)27-25-12)22-15-5-3-2-4-14(15)21-17-11-23-26-19(17)8-9-20(21)24-22/h3,6-14H,1-2,4-5H2,(H,27,29);7-11H,3-6H2,1-2H3,(H,25,27)(H,26,28);6-10H,2-5H2,1H3,(H,25,26)(H3,23,27,28);6-11H,2-5H2,1H3,(H,23,26)(H,25,27)
InChIKeyBQBJBAROYCKNBB-UHFFFAOYSA-N
MW1466.78 g/mol
LogP19.53
Rot. Bonds5

About 7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine

7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (PubChem CID 157426910) has the molecular formula C91H79N21 and a molecular weight of 1466.78 g/mol. Its IUPAC name is 7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

Molecular Properties

Compound Name7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
PubChem CID157426910
Molecular FormulaC91H79N21
Molecular Weight1466.78 g/mol
Exact Mass1465.68
IUPAC Name7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
SMILESCc1[nH]nc2ccc(-c3nc4ccc5[nH]nc(N)c5c4c4c3CCCC4)cc12.Cc1[nH]nc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc12.Cc1[nH]nc2ccc(-c3nc4ccc5n[nH]c(C)c5c4c4c3CCCC4)cc12.c1cnc(-c2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2)nc1
InChIInChI=1S/C24H19N5.C23H21N5.C22H20N6.C22H19N5/c1-2-5-18-17(4-1)22-19-14-27-29-20(19)10-11-21(22)28-23(18)15-6-8-16(9-7-15)24-25-12-3-13-26-24;1-12-17-11-14(7-8-18(17)27-25-12)23-16-6-4-3-5-15(16)22-19(24-23)9-10-20-21(22)13(2)26-28-20;1-11-15-10-12(6-7-16(15)26-25-11)21-14-5-3-2-4-13(14)19-17(24-21)8-9-18-20(19)22(23)28-27-18;1-12-16-10-13(6-7-18(16)27-25-12)22-15-5-3-2-4-14(15)21-17-11-23-26-19(17)8-9-20(21)24-22/h3,6-14H,1-2,4-5H2,(H,27,29);7-11H,3-6H2,1-2H3,(H,25,27)(H,26,28);6-10H,2-5H2,1H3,(H,25,26)(H3,23,27,28);6-11H,2-5H2,1H3,(H,23,26)(H,25,27)
InChIKeyBQBJBAROYCKNBB-UHFFFAOYSA-N
XLogP19.53
TPSA304.12 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001466.78
LogP ≤ 519.53
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968

Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The IUPAC name of 7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (CID 157426910) is 7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.
What is the SMILES notation for 7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The canonical SMILES for 7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is Cc1[nH]nc2ccc(-c3nc4ccc5[nH]nc(N)c5c4c4c3CCCC4)cc12.Cc1[nH]nc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc12.Cc1[nH]nc2ccc(-c3nc4ccc5n[nH]c(C)c5c4c4c3CCCC4)cc12.c1cnc(-c2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2)nc1.
What is the InChIKey of 7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
The InChIKey is BQBJBAROYCKNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5.C23H21N5.C22H20N6.C22H19N5/c1-2-5-18-17(4-1)22-19-14-27-29-20(19)10-11-21(22)28-23(18)15-6-8-16(9-7-15)24-25-12-3-13-26-24;1-12-17-11-14(7-8-18(17)27-25-12)23-16-6-4-3-5-15(16)22-19(24-23)9-10-20-21(22)13(2)26-28-20;1-11-15-10-12(6-7-16(15)26-25-11)21-14-5-3-2-4-13(14)19-17(24-21)8-9-18-20(19)22(23)28-27-18;1-12-16-10-13(6-7-18(16)27-25-12)22-15-5-3-2-4-14(15)21-17-11-23-26-19(17)8-9-20(21)24-22/h3,6-14H,1-2,4-5H2,(H,27,29);7-11H,3-6H2,1-2H3,(H,25,27)(H,26,28);6-10H,2-5H2,1H3,(H,25,26)(H3,23,27,28);6-11H,2-5H2,1H3,(H,23,26)(H,25,27).
What are the key properties of 7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine?
7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine has a molecular weight of 1466.78 g/mol, XLogP of 19.53, 5 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-1-amine;7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;1-methyl-7-(3-methyl-2H-indazol-5-yl)-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridine;7-(4-pyrimidin-2-ylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is sourced from PubChem (CID 157426910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).